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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

1910171554
InChI=1S/C2H7P/c1-3-2/h3H,1-2H3 INChIKey=YOTZYFSGUCFUKA-UHFFFAOYSA-N

TPSSh/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0379 -0.6683 0.0000   -0.0347 -0.6674 -0.0379
H2 1.3587 -0.9314 0.0000   -0.0483 -0.9301 1.3587
C3 -0.0379 0.5305 1.4321   1.4577 0.4555 -0.0379
C4 -0.0379 0.5305 -1.4321   -1.4027 0.6041 -0.0379
H5 -1.0327 0.9781 1.5228   1.5715 0.8978 -1.0327
H6 -1.0327 0.9781 -1.5228   -1.4701 1.0557 -1.0327
H7 0.1647 -0.0147 2.3592   2.3552 -0.1370 0.1647
H8 0.1647 -0.0147 -2.3592   -2.3567 0.1077 0.1647
H9 0.7005 1.3316 1.3234   1.3906 1.2612 0.7005
H10 0.7005 1.3316 -1.3234   -1.2525 1.3984 0.7005
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4212 1.8677 1.8677 2.4534 2.4534 2.4564 2.4564 2.5092 2.5092
H2 1.4212 2.4777 2.4777 3.4182 3.4182 2.7985 2.7985 2.7029 2.7029
C3 1.8677 2.4777 2.8643 1.0946 3.1499 1.0944 3.8357 1.0949 2.9631
C4 1.8677 2.4777 2.8643 3.1499 1.0946 3.8357 1.0944 2.9631 1.0949
H5 2.4534 3.4182 1.0946 3.1499 3.0457 1.7660 4.1820 1.7800 3.3510
H6 2.4534 3.4182 3.1499 1.0946 3.0457 4.1820 1.7660 3.3510 1.7800
H7 2.4564 2.7985 1.0944 3.8357 1.7660 4.1820 4.7183 1.7811 3.9573
H8 2.4564 2.7985 3.8357 1.0944 4.1820 1.7660 4.7183 3.9573 1.7811
H9 2.5092 2.7029 1.0949 2.9631 1.7800 3.3510 1.7811 3.9573 2.6467
H10 2.5092 2.7029 2.9631 1.0949 3.3510 1.7800 3.9573 1.7811 2.6467
Maximum atom distance is 4.7183Å between atoms H7 and H8.
picture of dimethylphosphine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C3 P1 C4 100.135
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 109.026 P1 C3 H7 109.254
P1 C3 H9 113.169 P1 C4 H6 109.026
P1 C4 H8 109.254 P1 C4 H10 113.169
H2 P1 C3 96.824 H2 P1 C4 96.824
H5 C3 H7 107.564 H5 C3 H9 108.781
H6 C4 H8 107.564 H6 C4 H10 108.781
H7 C3 H9 108.895 H8 C4 H10 108.895

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.